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NCID-ZINC01646611

 MMsINC code: MMs02287246
Type: Neutral
Formula: C10H22O3
SMILES:   O(CC(O)COCC)CCC(C)C
InChI:   InChI=1/C10H22O3/c1-4-12-7-10(11)8-13-6-5-9(2)3/h9-11H,4-8H2,1-3H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=38.0542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.283 g/mol  logS: -1.55991  SlogP: 1.4465  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0388253  Sterimol/B1: 2.87897  Sterimol/B2: 3.1146  Sterimol/B3: 3.27196
  Sterimol/B4: 4.00851  Sterimol/L: 16.9426 
 
 Surface and Volume Properties
  Accessible surface: 477.789  Positive charged surface: 378.67  Negative charged surface: 99.1182  Volume: 214.375
  Hydrophobic surface: 358.329  Hydrophilic surface: 119.46
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.